SCHEMBL6206017

SCHEMBL6206017

CC(OCC(Cl)(Cl)Cl)C(=O)Cl

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27294926 0.82 TP53 (0.32)
SCHEMBL23454258 0.73
SCHEMBL9030036 0.73
SCHEMBL23454338 0.73
SCHEMBL14256130 0.73
SCHEMBL695303 0.70
SCHEMBL6547840 0.70
SCHEMBL9340831 0.70
SCHEMBL9340828 0.70
SCHEMBL7157029 0.69

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6965034-B2 Synthesis of epothilones, intermediates thereto and analogues thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2005-11-15 US disclosed
EP-1058679-B1 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEROF SLOAN KETTERING INST CANCER (US) 2005-10-19 EP disclosed
US-20040260098-A1 Synthesis of epothilones, intermediates thereto and analogues thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-12-23 US disclosed
US-20030208080-A1 Synthesis of epothilones, intermediates thereto and analogues thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-11-06 US disclosed
US-6603023-B2 Synthetic methods for preparing intermediates for the preparation of epothilones A and B, and desoxyepothilones A and B, and related compounds useful as anticancer therapeutics SLOAN KETTERING INSTITUTE FOR CANCER RESEARCH 2003-08-05 US disclosed
US-20030105330-A1 Synthesis of epothilones, intermediates thereto and analogues thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-06-05 US disclosed
US-20030069277-A1 Synthesis of epothilones, intermediates thereto and analogues thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-10 US disclosed
US-6316630-B1 TREATING EPOTHILONE TO DEOXYGENATE THE EPOTHILONE, AND THEREBY TO PROVIDE THE DESOXYEPOTHILONE SLOAN KETTERING INSTITUTE FOR CANCER RESEARCH 2001-11-13 US disclosed
US-6204388-B1 USING BLOCKING AGENT SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2001-03-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030208080-A1 Synthesis of epothilones, intermediates thereto and analogues thereof DHPS, PPOX, DOHH CHRM2 4885/4885CHRM4 4882/4885CHRM1 4881/4885
US-20030105330-A1 Synthesis of epothilones, intermediates thereto and analogues thereof DHPS, PPOX, DOHH CHRM2 4885/4885CHRM4 4882/4885CHRM1 4881/4885
US-20030069277-A1 Synthesis of epothilones, intermediates thereto and analogues thereof DHPS, PPOX, DOHH CHRM2 4885/4885CHRM4 4882/4885CHRM1 4881/4885
US-20040260098-A1 Synthesis of epothilones, intermediates thereto and analogues thereof DHPS, PPOX, DOHH CHRM2 4885/4885CHRM4 4882/4885CHRM1 4881/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.